CID 2428996

6-amino-1-butyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CCCCN1C(=CC(=O)NC1=O)N
InChI
InChI=1S/C8H13N3O2/c1-2-3-4-11-6(9)5-7(12)10-8(11)13/h5H,2-4,9H2,1H3,(H,10,12,13)
InChIKey
MKBLKULBTBPLRX-UHFFFAOYSA-N
Compound name
6-amino-1-butylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

92
Patents

183.10077 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.108046 138.2
[M+Na]+ 206.089988 148.1
[M-H]- 182.093494 138.1
[M+NH4]+ 201.134593 154.9
[M+K]+ 222.063928 144.5
[M+H-H2O]+ 166.098030 131.2
[M+HCOO]- 228.098971 160.1
[M+CH3COO]- 242.114621 181.4
[M+Na-2H]- 204.075436 143.5
[M]+ 183.10022142 137.7
[M]- 183.10131858 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe